2-cyclohexa-1,3-dien-1-yl-4-naphthalen-2-yl-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide

Systemtic Name: 2-cyclohexa-1,3-dien-1-yl-4-naphthalen-2-yl-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide Openeye Name: 2-cyclohexa-1,3-dien-1-yl-4-(2-naphthyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide CAS Name: 2-(1-cyclohexa-1,3-dienyl)-4-(2-naphthalenyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide IUPAC Name: 2-cyclohexa-1,3-dien-1-yl-4-naphthalen-2-yl-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide Traditional Name: 2-cyclohexa-1,3-dien-1-yl-4-(2-naphthyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide Formula: C25H21NOS MolecularWeight: 383.50534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)C2CC(=NC3=CC=CC=C3S2=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(=CC=C1)C2CC(=NC3=CC=CC=C3S2=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H21NOS/c27-28-24-13-7-6-12-22(24)26-23(17-25(28)19-9-2-1-3-10-19)21-15-14-18-8-4-5-11-20(18)16-21/h1-2,4-9,11-16,25H,3,10,17H2